3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid
TL;DR: 3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid (CAS 19849-08-2) is a chemical compound with molecular formula C15H14F3NO3 and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: 6-{[3-(trifluoromethyl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, 3'-(TRIFLUOROMETHYL)-1,2,3,6-TETRAHYDROPHTHALANILIC ACID, 6-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic Acid, 6-((3-(Trifluoromethyl)phenyl)carbamoyl)cyclohex-3-enecarboxylic acid, 6-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
| Molecular Formula | C15H14F3NO3 |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 3.3109 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0926 |
| Heavy Atoms | 22 |
| Complexity | 610.2954 |
Chemical Identifiers
| CAS Number | 19849-08-2 |
|---|---|
| SMILES | C1C=CCC(C1C(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)O |
Product Overview
3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid (CAS 19849-08-2), with molecular formula C15H14F3NO3 and molecular weight 313.09 g/mol. IUPAC: 6-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid
Property Insights of 3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid
The XLogP value of 3.3109 indicates that 3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid. Following Lipinski's Rule of Five, 3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid?
The CAS number of 3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid is 19849-08-2.
What is the molecular formula of 3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid?
The molecular formula of 3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid is C15H14F3NO3.
What is the molecular weight of 3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid?
The molecular weight of 3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid is 313.09 g/mol.
Where can I buy 3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid?
You can request a quote for 3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid?
Yes, KEHONG BIO provides custom synthesis services for 3'-(Trifluoromethyl)-1,2,3,6-tetrahydrophthalanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.